7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane

C24H32N6O3 — CID 170606760

IUPAC7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)(C)Oc1ncc(-c2cc3c(N4CCC5(COC5)C4)nccn3n2)c(OC(C)(C)C)n1
InChIInChI=1S/C24H32N6O3/c1-22(2,3)32-20-16(12-26-21(27-20)33-23(4,5)6)17-11-18-19(25-8-10-30(18)28-17)29-9-7-24(13-29)14-31-15-24/h8,10-12H,7,9,13-15H2,1-6H3
InChIKeyMSNYDCKATVKLKN-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.77
Rot. Bonds4

About 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane

7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 170606760) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane
PubChem CID170606760
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)(C)Oc1ncc(-c2cc3c(N4CCC5(COC5)C4)nccn3n2)c(OC(C)(C)C)n1
InChIInChI=1S/C24H32N6O3/c1-22(2,3)32-20-16(12-26-21(27-20)33-23(4,5)6)17-11-18-19(25-8-10-30(18)28-17)29-9-7-24(13-29)14-31-15-24/h8,10-12H,7,9,13-15H2,1-6H3
InChIKeyMSNYDCKATVKLKN-UHFFFAOYSA-N
XLogP3.77
TPSA86.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane (CID 170606760) is 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane is CC(C)(C)Oc1ncc(-c2cc3c(N4CCC5(COC5)C4)nccn3n2)c(OC(C)(C)C)n1.
What is the InChIKey of 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is MSNYDCKATVKLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-22(2,3)32-20-16(12-26-21(27-20)33-23(4,5)6)17-11-18-19(25-8-10-30(18)28-17)29-9-7-24(13-29)14-31-15-24/h8,10-12H,7,9,13-15H2,1-6H3.
What are the key properties of 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 452.56 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 170606760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).